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bandstructure:start [2011/10/13 10:59] – jasonbandstructure:start [2020/03/06 09:04] (current) – external edit 127.0.0.1
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 ===== Duplicating WIEN2k Sessions ===== ===== Duplicating WIEN2k Sessions =====
-It is sometimes useful to duplicate a previous calculation (e.g. to vary parameters in DOS calculations without having to repeat SCF).  This can be done fairly easily with a few commands.  You'll need to connect to the server using ssh.+It is sometimes useful to duplicate a previous calculation (e.g. to vary parameters in DOS or optical calculations without having to repeat SCF).  This can be done fairly easily with a few commands.  You'll need to connect to the server using ssh.
   - Duplicate the existing calculation.  In your main Wien2k directory, run <code>cp -R old_case new_case</code>   - Duplicate the existing calculation.  In your main Wien2k directory, run <code>cp -R old_case new_case</code>
   - Go to the new case folder. <code>cd new_case</code>   - Go to the new case folder. <code>cd new_case</code>
   - Batch rename old_case.* files <code>rename -v 's/old_case/new_case/' old_case*</code>   - Batch rename old_case.* files <code>rename -v 's/old_case/new_case/' old_case*</code>
   - Log in to the w2web interface and create a session called new_case in the new_case directory you previously created.     - Log in to the w2web interface and create a session called new_case in the new_case directory you previously created.  

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